MB
spectrum |
Partition |
Partition Score |
Mass Error |
Feasibilty |
% Precursor |
SF1 |
SF2 |
SF3 |
SF4 |
SF5 |
Whole Formula |
SFmass1 |
SFmass2 |
SFmass3 |
SFmass4 |
SFmass5 |
Compound |
Pubchem CID |
CE |
EQ332552 |
2 |
93 |
0.0499 |
229 |
80 |
CH3 |
CHN |
C7H7O2 |
H2O |
|
C9H13NO3 |
15.0235 |
27.0108 |
123.0446 |
18.0106 |
|
Epinephrine |
5816 |
30 |
EQ332552 |
3 |
89 |
0.0500 |
433 |
80 |
H2O |
C2H4N |
C7H7O2 |
|
|
C9H13NO3 |
18.0106 |
42.0343 |
123.0446 |
|
|
Epinephrine |
5816 |
30 |
EQ332552 |
4 |
80 |
0.0437 |
261 |
80 |
CH3 |
C6H4O2 |
C2H4N |
H2O |
|
C9H13NO3 |
15.0235 |
108.0211 |
42.0343 |
18.0106 |
|
Epinephrine |
5816 |
30 |
EQ332552 |
5 |
80 |
0.0563 |
203 |
80 |
C2H6NO |
C6H2O |
H2O |
CH3 |
|
C9H13NO3 |
60.0449 |
90.0105 |
18.0106 |
15.0235 |
|
Epinephrine |
5816 |
30 |
EQ332552 |
6 |
79 |
0.0582 |
114 |
80 |
CH3 |
C8H8NO2 |
H2O |
|
|
C9H13NO3 |
15.0235 |
150.0554 |
18.0106 |
|
|
Epinephrine |
5816 |
30 |
EQ332552 |
7 |
75 |
0.0334 |
678 |
80 |
H2O |
C7H5O |
C2H6NO |
|
|
C9H13NO3 |
18.0106 |
105.0340 |
60.0449 |
|
|
Epinephrine |
5816 |
30 |
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